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Chemical structure of NDI-034858

GC66329

NDI-034858

Also known as N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

NDI-034858 is a TYK2 inhibitor, target TYK2 JH2 domain with binding constant Kd of ＜200 pM

ChemicalCAS2272904-53-5MW460.49FormulaC23H24N8O3
CAS number
2272904-53-5
Molecular weight
460.49
Formula
C23H24N8O3
Solubility
DMSO ： 50 mg/mL (108·58 mM; ultrasonic and warming and heat to 60°C)
InChIKey
BWINBHTTZLVXGT-NVXWUHKLSA-N
Catalogue number
GC66329
Brand
GLPBIO
Computed properties PubChem CID 137441492 · XLogP 1.8 · TPSA 126 Ų · H-bond donors 3
XLogP
1.8
TPSA
126 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34

SMILES CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)C5=CC=CC=N5

Computed descriptors from PubChem (CID 137441492), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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